SCHEMBL470323

SCHEMBL470323

COC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 6/20 0.50
GAA P10253 2/20 0.50
USP2 O75604 1/20 0.50
THRB P10828 2/20 0.49
TP53 P04637 2/20 0.48
HPGD P15428 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8570609 0.90 MAPT (0.62) MAPTPOLBKDM4EGAAUSP2
SCHEMBL457202 0.89 DPP4 (0.52) MAPTPOLBKDM4ETHRBTP53
SCHEMBL15475992 0.89 NPC1 (0.53) MAPTPOLBKDM4EGAAUSP2
SCHEMBL15226771 0.88 MAPT (0.48) MAPTPOLBKDM4EGAAUSP2
SCHEMBL459359 0.87 MAPT (0.52) MAPTPOLBKDM4EGAATHRB
SCHEMBL8928795 0.87 MAPT (0.52) MAPTPOLBKDM4EGAATHRB
SCHEMBL2042378 0.84 ALDH1A1 (0.52) MAPTPOLBKDM4EGAAUSP2
SCHEMBL459528 0.83 MAPT (0.46) MAPTPOLBKDM4ETHRBTP53
SCHEMBL470433 0.82 KDM4E (0.41) MAPTPOLBKDM4EGAAUSP2
SCHEMBL21775472 0.81 MAPT (0.57) MAPTPOLBKDM4EGAATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822949-B9 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-25 EP disclosed
EP-2822949-B1 FUSED PYRIMIDINES AS INHIBITORS OF IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL MYERS SQUIBB CO (US) 2016-09-07 EP disclosed
US-9034882-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-19 US disclosed
US-9034882-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-19 US disclosed
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-09-05 US disclosed
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-09-05 US disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPT 3089/4885POLB 134/4885KDM4E 2080/4885
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS MAPT 2620/4885POLB 22/4885KDM4E 2143/4885
US-20130231331-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS MAPT 2620/4885POLB 22/4885KDM4E 2143/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.